6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide

C12H11ClN2OS — CID 78989446

IUPAC6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2OS/c1-8-5-6-17-10(8)7-14-12(16)9-3-2-4-11(13)15-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyUBRKGPBONOJDHG-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.03
Rot. Bonds3

About 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide

6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 78989446) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID78989446
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2OS/c1-8-5-6-17-10(8)7-14-12(16)9-3-2-4-11(13)15-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyUBRKGPBONOJDHG-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 103803792
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 32958855
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 78918299
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide (CID 78989446) is 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide is Cc1ccsc1CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is UBRKGPBONOJDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-5-6-17-10(8)7-14-12(16)9-3-2-4-11(13)15-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 78989446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).